HMDB0240536 RDKit 3D Isorhamnetin 3-glucuronide 55 58 0 0 0 0 0 0 0 0999 V2000 1.8225 -4.7535 -1.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2213 -3.7233 -1.1709 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6705 -2.5628 -0.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8777 -1.4144 -0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2935 -0.2330 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5571 1.0175 -0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2311 2.1488 0.1016 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 3.3188 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4405 4.4290 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8992 5.6878 0.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7151 6.8030 0.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5604 5.8533 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2798 4.7574 0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5957 4.9611 -0.1262 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2995 3.5166 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4305 2.3888 -0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6692 2.4675 -0.4574 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2318 1.1634 -0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5982 0.0857 -0.5844 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2169 -0.7065 0.4311 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3248 -1.9776 -0.0358 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5291 -2.3779 -0.5302 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0226 -1.6642 -1.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1487 -2.0221 -2.1812 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3594 -0.6498 -2.3436 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5751 -2.4024 0.5642 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5790 -3.6750 1.1252 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2407 -1.3323 1.5971 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3624 -0.9050 2.2854 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5291 -0.1428 0.9260 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2934 0.7646 1.9378 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5731 -0.2267 0.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3604 -1.3319 0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9104 -2.5136 -0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7213 -3.6565 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -5.7127 -0.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3245 -5.1347 -2.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -4.8391 -1.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9439 -1.4802 -1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5058 4.2693 0.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1260 7.2920 0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0798 6.8285 0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4092 4.4862 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5254 -0.6026 1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3873 -3.4482 -0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1054 -0.6883 -3.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5512 -2.1468 0.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4208 -4.1365 0.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4753 -1.7791 2.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9181 -1.6981 2.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1677 0.2995 0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8849 1.5552 1.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9436 0.6898 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3435 -1.2625 0.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6279 -3.5837 0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 22 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 5 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 34 3 1 0 18 6 2 0 30 20 1 0 15 8 1 0 1 36 1 0 1 37 1 0 1 38 1 0 4 39 1 0 9 40 1 0 11 41 1 0 12 42 1 0 14 43 1 0 20 44 1 1 22 45 1 6 25 46 1 0 26 47 1 6 27 48 1 0 28 49 1 1 29 50 1 0 30 51 1 6 31 52 1 0 32 53 1 0 33 54 1 0 35 55 1 0 M END